Geometry & MOs

Info

ID:	330267
PubChem CID:	127247254
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	-13.86
Dipole, Da:	6.43
IP(EA), eV:	-9.58(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-tert-butyl-1H-pyrazol-3-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C=C1)CC(=O)N2CCCCC2C3=CC=NN3

DOS

IR

Vibrations